smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCCC2(C1)OCCO2 ZINC001228974129 803438176 /nfs/dbraw/zinc/43/81/76/803438176.db2.gz QBGYKDFTRJCDFQ-JTQLQIEISA-N -2 3 311.290 2.071 20 5 DEBDHL O=C([O-])c1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC001608855412 1077708374 /nfs/dbraw/zinc/70/83/74/1077708374.db2.gz MNMKRNHONUSCDB-UHFFFAOYSA-N -2 3 311.637 2.187 20 5 DEBDHL O=c1nc(C=Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])c([O-])[n-]1 ZINC000590777262 357610558 /nfs/dbraw/zinc/61/05/58/357610558.db2.gz CNWPPKAPRXNNFA-WAYWQWQTSA-N -2 3 320.330 2.302 20 5 DEBDHL CN(C)C(=O)c1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1[O-] ZINC001210398574 801392070 /nfs/dbraw/zinc/39/20/70/801392070.db2.gz IESLUTPDVWVKES-UHFFFAOYSA-N -2 3 317.301 2.451 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001593481831 1077010353 /nfs/dbraw/zinc/01/03/53/1077010353.db2.gz LFKFLAMJIRLIQP-UPHRSURJSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001593481831 1077010359 /nfs/dbraw/zinc/01/03/59/1077010359.db2.gz LFKFLAMJIRLIQP-UPHRSURJSA-N -2 3 310.273 2.046 20 5 DEBDHL O=C([O-])[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001601654427 1077425848 /nfs/dbraw/zinc/42/58/48/1077425848.db2.gz CIWZIAIJMNYDHZ-SNVBAGLBSA-N -2 3 309.322 2.388 20 5 DEBDHL Cc1nc(C=Cc2ccccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-] ZINC000347424007 403705143 /nfs/dbraw/zinc/70/51/43/403705143.db2.gz ZAMGMMFYGHMQAD-SREVYHEPSA-N -2 3 315.285 2.196 20 5 DEBDHL CCOC(=O)[C@@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228974536 803438201 /nfs/dbraw/zinc/43/82/01/803438201.db2.gz UDFLXIOLJUCRBJ-PSASIEDQSA-N -2 3 311.290 2.117 20 5 DEBDHL O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)c([O-])cc1[O-] ZINC001251088125 1142379212 /nfs/dbraw/zinc/37/92/12/1142379212.db2.gz WDOPEPGBZWBOTQ-UHFFFAOYSA-N -2 3 313.269 2.484 20 5 DEBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1ncoc1[C@@H]1CCCO1 ZINC000092546100 355639086 /nfs/dbraw/zinc/63/90/86/355639086.db2.gz SQHLCHGVQRLMMX-NSHDSACASA-N -2 3 319.273 2.392 20 5 DEBDHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000077459872 401816664 /nfs/dbraw/zinc/81/66/64/401816664.db2.gz HTZONFNKXJWJEV-UHFFFAOYSA-N -2 3 317.236 2.364 20 5 DEBDHL Cc1nc(C=Cc2csc([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347422176 403703936 /nfs/dbraw/zinc/70/39/36/403703936.db2.gz RZPKQFYTMDSWKI-NSCUHMNNSA-N -2 3 321.314 2.258 20 5 DEBDHL C[C@H](CON)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227310549 803229979 /nfs/dbraw/zinc/22/99/79/803229979.db2.gz VMPMAMGRHZVXRE-MRVPVSSYSA-N -2 3 317.297 2.015 20 5 DEBDHL COC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001228970610 803438249 /nfs/dbraw/zinc/43/82/49/803438249.db2.gz JBRJSYLMOUUKGZ-AWEZNQCLSA-N -2 3 319.269 2.299 20 5 DEBDHL O=C([O-])c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC001601591596 1077415251 /nfs/dbraw/zinc/41/52/51/1077415251.db2.gz QMMWLGMXIXMQQD-UHFFFAOYSA-N -2 3 311.250 2.141 20 5 DEBDHL O=c1nc(C=CC=Cc2ccc(F)cc2F)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352028031 404092551 /nfs/dbraw/zinc/09/25/51/404092551.db2.gz RSEUEHQFVOTSML-ZPUQHVIOSA-N -2 3 321.239 2.389 20 5 DEBDHL O=C([O-])c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc([N+](=O)[O-])c1 ZINC000740088411 600540305 /nfs/dbraw/zinc/54/03/05/600540305.db2.gz HMXCGYUXENOPDH-UHFFFAOYSA-N -2 3 321.201 2.047 20 5 DEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCCCP(=O)([O-])[O-])C2 ZINC001225022642 802928169 /nfs/dbraw/zinc/92/81/69/802928169.db2.gz PQDHNXWYKCDUIB-ZDUSSCGKSA-N -2 3 315.262 2.037 20 5 DEBDHL CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970196 803438102 /nfs/dbraw/zinc/43/81/02/803438102.db2.gz HDJSKLXFIPZMJF-KOLCDFICSA-N -2 3 311.290 2.117 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)ccc1[O-] ZINC001593472901 1077006922 /nfs/dbraw/zinc/00/69/22/1077006922.db2.gz CFPRAZHBPZXIPZ-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)ccc1[O-] ZINC001593472901 1077006926 /nfs/dbraw/zinc/00/69/26/1077006926.db2.gz CFPRAZHBPZXIPZ-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1nc(C=Cc2csc([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347422174 403704275 /nfs/dbraw/zinc/70/42/75/403704275.db2.gz RZPKQFYTMDSWKI-IHWYPQMZSA-N -2 3 321.314 2.258 20 5 DEBDHL Cc1nc(C=Cc2ccccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-] ZINC000347424010 403704953 /nfs/dbraw/zinc/70/49/53/403704953.db2.gz ZAMGMMFYGHMQAD-VOTSOKGWSA-N -2 3 315.285 2.196 20 5 DEBDHL O=c1nc(C=CC=Cc2ccc(F)cc2F)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352028030 404092792 /nfs/dbraw/zinc/09/27/92/404092792.db2.gz RSEUEHQFVOTSML-HSFFGMMNSA-N -2 3 321.239 2.389 20 5 DEBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131514054 196176495 /nfs/dbraw/zinc/17/64/95/196176495.db2.gz VUWPUBTVOJFFJH-UHFFFAOYSA-N -2 3 312.278 2.240 20 5 DEBDHL O=C1[N-]C(=O)/C(=C\c2cc([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC000772795186 641692869 /nfs/dbraw/zinc/69/28/69/641692869.db2.gz AHBWLGMKUIQQEV-JYRVWZFOSA-N -2 3 310.265 2.111 20 5 DEBDHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1ccc([N+](=O)[O-])s1 ZINC000073973657 401726200 /nfs/dbraw/zinc/72/62/00/401726200.db2.gz OFNRWGSOHHDLHU-UHFFFAOYSA-N -2 3 305.275 2.287 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133143315 196315037 /nfs/dbraw/zinc/31/50/37/196315037.db2.gz SCJQYFRQCGQDRF-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL COc1nc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])co1 ZINC001137826684 796143157 /nfs/dbraw/zinc/14/31/57/796143157.db2.gz NBENFWDEUDADAU-UHFFFAOYSA-N -2 3 313.653 2.203 20 5 DEBDHL CCOC(=O)[C@@H]1CCC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970197 803437519 /nfs/dbraw/zinc/43/75/19/803437519.db2.gz HDJSKLXFIPZMJF-MWLCHTKSSA-N -2 3 311.290 2.117 20 5 DEBDHL Cc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000619864572 363884140 /nfs/dbraw/zinc/88/41/40/363884140.db2.gz HZTVEDMBFKQFED-PLNGDYQASA-N -2 3 301.258 2.267 20 5 DEBDHL O=C(/C=C\c1cncc([O-])c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492402335 249057309 /nfs/dbraw/zinc/05/73/09/249057309.db2.gz WOYQGSJUDODELV-RJRFIUFISA-N -2 3 301.258 2.053 20 5 DEBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000127889333 401754237 /nfs/dbraw/zinc/75/42/37/401754237.db2.gz AUFWRKFTBKDTEG-UHFFFAOYSA-N -2 3 312.278 2.240 20 5 DEBDHL Cc1cc(C(=O)[O-])c([N+](=O)[O-])c([N-]c2cn(C)nc2C2CC2)n1 ZINC001607586713 1071484917 /nfs/dbraw/zinc/48/49/17/1071484917.db2.gz BEOLGIMEFGXBQW-UHFFFAOYSA-N -2 3 317.305 2.351 20 5 DEBDHL O=C([O-])[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CCCC1 ZINC001601655938 1077426622 /nfs/dbraw/zinc/42/66/22/1077426622.db2.gz XHNTWNKVXWUXGT-SNVBAGLBSA-N -2 3 309.322 2.388 20 5 DEBDHL O=c1nc(C=Cc2scnc2C2CC2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352020751 404086635 /nfs/dbraw/zinc/08/66/35/404086635.db2.gz JTPPTVCARZEAMJ-ONEGZZNKSA-N -2 3 306.303 2.300 20 5 DEBDHL CCOC(=O)[C@@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228974540 803438208 /nfs/dbraw/zinc/43/82/08/803438208.db2.gz UDFLXIOLJUCRBJ-SCZZXKLOSA-N -2 3 311.290 2.117 20 5 DEBDHL CCC(F)(F)C(=O)[N-][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001595216015 980012192 /nfs/dbraw/zinc/01/21/92/980012192.db2.gz AENJGNDQCYKYJB-LBPRGKRZSA-N -2 3 316.260 2.056 20 5 DEBDHL O=C([O-])c1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1Cl ZINC001602570756 1069680774 /nfs/dbraw/zinc/68/07/74/1069680774.db2.gz UBOISMKNDKFBNN-UHFFFAOYSA-N -2 3 324.680 2.054 20 5 DEBDHL CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001603257511 1069924009 /nfs/dbraw/zinc/92/40/09/1069924009.db2.gz KAYLWTLBLOUJAR-VIFPVBQESA-N -2 3 309.322 2.023 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1[O-] ZINC001593476242 1077008339 /nfs/dbraw/zinc/00/83/39/1077008339.db2.gz VGVLWXSZZFQMII-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1[O-] ZINC001593476242 1077008344 /nfs/dbraw/zinc/00/83/44/1077008344.db2.gz VGVLWXSZZFQMII-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=C(Cc1cncc([O-])c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000553209403 406743596 /nfs/dbraw/zinc/74/35/96/406743596.db2.gz DKODDDZKLSSRDD-UHFFFAOYSA-N -2 3 323.692 2.236 20 5 DEBDHL COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000442692768 534171776 /nfs/dbraw/zinc/17/17/76/534171776.db2.gz XUZGSQRWPKGUMH-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL Cc1cn2c(n1)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])CCC2 ZINC001228975249 803438088 /nfs/dbraw/zinc/43/80/88/803438088.db2.gz YWSGEGUCPGYQHI-LLVKDONJSA-N -2 3 305.290 2.425 20 5 DEBDHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001626458885 1078255763 /nfs/dbraw/zinc/25/57/63/1078255763.db2.gz YFNVCUPGFXIFQZ-UHFFFAOYSA-N -2 3 317.236 2.364 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184882582 402306850 /nfs/dbraw/zinc/30/68/50/402306850.db2.gz IRPSSOSTXIQKSN-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3C[C@H](O)C3)c12 ZINC001218365338 802172298 /nfs/dbraw/zinc/17/22/98/802172298.db2.gz CUZONWOUYCWUKX-CZMCAQCFSA-N -2 3 314.293 2.260 20 5 DEBDHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])s1 ZINC000078379937 355258076 /nfs/dbraw/zinc/25/80/76/355258076.db2.gz DIXBXOYKVOHHAY-UHFFFAOYSA-N -2 3 307.213 2.046 20 5 DEBDHL Cc1cc(=O)[n-]c(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001600063936 1077131028 /nfs/dbraw/zinc/13/10/28/1077131028.db2.gz BPDQSBYUPPDAMJ-UHFFFAOYSA-N -2 3 318.289 2.018 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1[O-] ZINC001609601748 1077882102 /nfs/dbraw/zinc/88/21/02/1077882102.db2.gz YGLBCLYETYCCBW-DAFODLJHSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1[O-] ZINC001609601748 1077882104 /nfs/dbraw/zinc/88/21/04/1077882104.db2.gz YGLBCLYETYCCBW-DAFODLJHSA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1sc(S(=O)(=O)[N-]c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000163911072 402459011 /nfs/dbraw/zinc/45/90/11/402459011.db2.gz MWUDJHQCFFSYGK-UHFFFAOYSA-N -2 3 314.344 2.471 20 5 DEBDHL CCCC[C@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000416434440 424958571 /nfs/dbraw/zinc/95/85/71/424958571.db2.gz UQQPJAWWZGPVKQ-NSHDSACASA-N -2 3 320.305 2.700 20 5 DEBDHL Cc1nn(C)c(C)c1[N-]c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576587128 326304615 /nfs/dbraw/zinc/30/46/15/326304615.db2.gz FCGJCNKFFKNRGC-UHFFFAOYSA-N -2 3 305.294 2.090 20 5 DEBDHL O=C1CC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227311163 803229280 /nfs/dbraw/zinc/22/92/80/803229280.db2.gz YQCBWWJZSLYIMT-UHFFFAOYSA-N -2 3 312.277 2.468 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1[O-] ZINC001607078594 1071288658 /nfs/dbraw/zinc/28/86/58/1071288658.db2.gz IFPZZRAWJREOSU-RJRFIUFISA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1[O-] ZINC001607078594 1071288663 /nfs/dbraw/zinc/28/86/63/1071288663.db2.gz IFPZZRAWJREOSU-RJRFIUFISA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000158903514 197310627 /nfs/dbraw/zinc/31/06/27/197310627.db2.gz OEAQUIFWWNRKRY-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=C([N-]c1cc(Cl)c([O-])cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000345585397 403391676 /nfs/dbraw/zinc/39/16/76/403391676.db2.gz JAVLKOZJWCFZSD-UHFFFAOYSA-N -2 3 300.633 2.068 20 5 DEBDHL CC[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2c(=O)[n-]1)C(=O)[O-] ZINC000576946042 326331553 /nfs/dbraw/zinc/33/15/53/326331553.db2.gz GBJKUQALIUAEEZ-SECBINFHSA-N -2 3 309.303 2.199 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1[O-] ZINC001593476241 1077008259 /nfs/dbraw/zinc/00/82/59/1077008259.db2.gz VGVLWXSZZFQMII-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1[O-] ZINC001593476241 1077008262 /nfs/dbraw/zinc/00/82/62/1077008262.db2.gz VGVLWXSZZFQMII-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001600277218 1077174783 /nfs/dbraw/zinc/17/47/83/1077174783.db2.gz JGZCBCATYCTBLR-UHFFFAOYSA-N -2 3 323.286 2.016 20 5 DEBDHL O=C([O-])[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001601654424 1077425929 /nfs/dbraw/zinc/42/59/29/1077425929.db2.gz CIWZIAIJMNYDHZ-JTQLQIEISA-N -2 3 309.322 2.388 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)ccc1[O-] ZINC001593473358 1077006781 /nfs/dbraw/zinc/00/67/81/1077006781.db2.gz YWVUIFODVVUFPZ-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)ccc1[O-] ZINC001593473358 1077006787 /nfs/dbraw/zinc/00/67/87/1077006787.db2.gz YWVUIFODVVUFPZ-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1O ZINC000315776941 145360321 /nfs/dbraw/zinc/36/03/21/145360321.db2.gz DNNKJBLDHNKCKQ-UHFFFAOYSA-N -2 3 324.314 2.115 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000823644183 607459713 /nfs/dbraw/zinc/45/97/13/607459713.db2.gz GNVPLGVHVMWCNV-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000823644183 607459714 /nfs/dbraw/zinc/45/97/14/607459714.db2.gz GNVPLGVHVMWCNV-HNQUOIGGSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc([O-])cc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001201222883 798727417 /nfs/dbraw/zinc/72/74/17/798727417.db2.gz RFEHGSPTQOWCDK-UHFFFAOYSA-N -2 3 310.287 2.291 20 5 DEBDHL CC(C)(C)CC(=O)[N-]OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589740735 988009883 /nfs/dbraw/zinc/00/98/83/988009883.db2.gz FHAIBYDBZSJKMW-UHFFFAOYSA-N -2 3 310.306 2.277 20 5 DEBDHL O=C(Nc1cc(Cl)ccc1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186998245 402477036 /nfs/dbraw/zinc/47/70/36/402477036.db2.gz RARZSVNXGOWLQB-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c([O-])c1 ZINC000443560078 534172803 /nfs/dbraw/zinc/17/28/03/534172803.db2.gz OUHPDEYZCMZJOU-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL COC(=O)[C@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228973514 803438150 /nfs/dbraw/zinc/43/81/50/803438150.db2.gz KBFSFFIBJRHZPF-WPRPVWTQSA-N -2 3 311.290 2.117 20 5 DEBDHL O=C(Nc1c([O-])cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552435385 291720899 /nfs/dbraw/zinc/72/08/99/291720899.db2.gz DYOIEWUOERNKHH-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CCC2(CC1)OCCO2 ZINC001228968415 803436809 /nfs/dbraw/zinc/43/68/09/803436809.db2.gz JFLABGSHXHOBRY-UHFFFAOYSA-N -2 3 311.290 2.071 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164978478 402471486 /nfs/dbraw/zinc/47/14/86/402471486.db2.gz VXMIGCLHPLRCIX-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c([O-])c1 ZINC000356300946 404435210 /nfs/dbraw/zinc/43/52/10/404435210.db2.gz XIVPEXQHEDENFG-UHFFFAOYSA-N -2 3 319.273 2.058 20 5 DEBDHL CC(C)CCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000547894755 406457909 /nfs/dbraw/zinc/45/79/09/406457909.db2.gz IMWFUPVARGWHMA-UHFFFAOYSA-N -2 3 316.335 2.081 20 5 DEBDHL CC[C@H](Sc1nc2ccc([N+](=O)[O-])cc2c(=O)[n-]1)C(=O)[O-] ZINC000576946043 326331506 /nfs/dbraw/zinc/33/15/06/326331506.db2.gz GBJKUQALIUAEEZ-VIFPVBQESA-N -2 3 309.303 2.199 20 5 DEBDHL O=C([O-])[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC001608635124 1077667980 /nfs/dbraw/zinc/66/79/80/1077667980.db2.gz IMYYHWWYRQXDOJ-GZBFAFLISA-N -2 3 320.345 2.376 20 5 DEBDHL O=c1nc(C=Cc2ccnn2C2CCCC2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000453029963 405276717 /nfs/dbraw/zinc/27/67/17/405276717.db2.gz SOPUHLRXOZKQKY-AATRIKPKSA-N -2 3 317.305 2.278 20 5 DEBDHL CN(C)c1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(N=O)c(=O)[n-]1 ZINC001210394211 801390276 /nfs/dbraw/zinc/39/02/76/801390276.db2.gz RVJWUPZPLIXUAS-UHFFFAOYSA-N -2 3 320.265 2.004 20 5 DEBDHL C[C@@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001604191684 1070272385 /nfs/dbraw/zinc/27/23/85/1070272385.db2.gz ZWHNOUWMYMXXAW-HNNXBMFYSA-N -2 3 317.301 2.150 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1[O-] ZINC001609601749 1077882614 /nfs/dbraw/zinc/88/26/14/1077882614.db2.gz YGLBCLYETYCCBW-RJRFIUFISA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1[O-] ZINC001609601749 1077882617 /nfs/dbraw/zinc/88/26/17/1077882617.db2.gz YGLBCLYETYCCBW-RJRFIUFISA-N -2 3 310.273 2.046 20 5 DEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442225562 238042684 /nfs/dbraw/zinc/04/26/84/238042684.db2.gz VTEXSYQWRNMMCD-UHFFFAOYSA-N -2 3 324.314 2.110 20 5 DEBDHL Cc1nnsc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000190585293 225089506 /nfs/dbraw/zinc/08/95/06/225089506.db2.gz AQTMAPRZFZNCRD-UHFFFAOYSA-N -2 3 314.710 2.366 20 5 DEBDHL CN(C)c1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(N=O)c(=O)[n-]1 ZINC001199819539 798536400 /nfs/dbraw/zinc/53/64/00/798536400.db2.gz XEZVHVIWGDCBSY-UHFFFAOYSA-N -2 3 320.265 2.004 20 5 DEBDHL Cc1nc(C=Cc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347414259 403701300 /nfs/dbraw/zinc/70/13/00/403701300.db2.gz FXOWZTRNSMSHCU-WAYWQWQTSA-N -2 3 315.285 2.196 20 5 DEBDHL COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1[O-] ZINC000436927031 405163035 /nfs/dbraw/zinc/16/30/35/405163035.db2.gz NUWODWPJMQTRAP-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=C([O-])c1cc(NC(=O)c2ccccc2[O-])cc([N+](=O)[O-])c1 ZINC000833300468 600975186 /nfs/dbraw/zinc/97/51/86/600975186.db2.gz OIDCRINQBXBJLM-UHFFFAOYSA-N -2 3 302.242 2.251 20 5 DEBDHL O=C([O-])c1cc(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000833298297 601187404 /nfs/dbraw/zinc/18/74/04/601187404.db2.gz RRFXQQCXBMFLMN-UHFFFAOYSA-N -2 3 320.232 2.390 20 5 DEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1[n-]cnc1C(F)(F)F ZINC001447271984 1184701563 /nfs/dbraw/zinc/70/15/63/1184701563.db2.gz ZBEDWHAWFCCACK-UHFFFAOYSA-N -2 3 316.195 2.295 20 5 DEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nc[n-]c1C(F)(F)F ZINC001447271984 1184701568 /nfs/dbraw/zinc/70/15/68/1184701568.db2.gz ZBEDWHAWFCCACK-UHFFFAOYSA-N -2 3 316.195 2.295 20 5 DEBDHL Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000021806246 182290962 /nfs/dbraw/zinc/29/09/62/182290962.db2.gz SGWXRKIOCBIPET-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=C(Nc1ccc(Cl)cc1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193752197 534829698 /nfs/dbraw/zinc/82/96/98/534829698.db2.gz LAPXSTBIYICNIS-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CN(Cc2ccccc2)C1 ZINC001228968877 803437590 /nfs/dbraw/zinc/43/75/90/803437590.db2.gz SQOQFVQCKPSTDC-UHFFFAOYSA-N -2 3 316.313 2.269 20 5 DEBDHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021363273 354048764 /nfs/dbraw/zinc/04/87/64/354048764.db2.gz ICSWVTQFUURABA-UHFFFAOYSA-N -2 3 324.314 2.110 20 5 DEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3COC3)c12 ZINC001234749099 1084205540 /nfs/dbraw/zinc/20/55/40/1084205540.db2.gz XTSOFLAWLWNAQO-UHFFFAOYSA-N -2 3 300.266 2.135 20 5 DEBDHL O=[N+]([O-])c1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1[O-] ZINC000350492679 356531241 /nfs/dbraw/zinc/53/12/41/356531241.db2.gz ZHDWNMHLNZLPMJ-UHFFFAOYSA-N -2 3 324.256 2.289 20 5 DEBDHL COC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228973511 803437831 /nfs/dbraw/zinc/43/78/31/803437831.db2.gz KBFSFFIBJRHZPF-PSASIEDQSA-N -2 3 311.290 2.117 20 5 DEBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1csnn1 ZINC001295615247 1139465958 /nfs/dbraw/zinc/46/59/58/1139465958.db2.gz VBNKYFJIAICCNB-UHFFFAOYSA-N -2 3 300.683 2.058 20 5 DEBDHL COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c([O-])c1 ZINC000442702295 534168454 /nfs/dbraw/zinc/16/84/54/534168454.db2.gz BTKRLJSPVBHAJQ-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=c1cccc2oc3cc([O-])c(O[C@H]4C[C@H](O)C4)cc3c([O-])c1-2 ZINC001218358932 802171814 /nfs/dbraw/zinc/17/18/14/802171814.db2.gz BHBCECHYMOTKNW-KYZUINATSA-N -2 3 314.293 2.260 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182131830 402668382 /nfs/dbraw/zinc/66/83/82/402668382.db2.gz UAYSATPAMMZRLS-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL CCOC(=O)[C@H]1CCC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970195 803437536 /nfs/dbraw/zinc/43/75/36/803437536.db2.gz HDJSKLXFIPZMJF-GXSJLCMTSA-N -2 3 311.290 2.117 20 5 DEBDHL COC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972187 803437885 /nfs/dbraw/zinc/43/78/85/803437885.db2.gz UCZJBNYKBGWCKD-CZMCAQCFSA-N -2 3 311.290 2.117 20 5 DEBDHL CCC(F)(F)C(=O)[N-][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001595216010 980012021 /nfs/dbraw/zinc/01/20/21/980012021.db2.gz AENJGNDQCYKYJB-GFCCVEGCSA-N -2 3 316.260 2.056 20 5 DEBDHL C[C@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001604191687 1070275597 /nfs/dbraw/zinc/27/55/97/1070275597.db2.gz ZWHNOUWMYMXXAW-OAHLLOKOSA-N -2 3 317.301 2.150 20 5 DEBDHL CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1[O-] ZINC001636953012 1078496930 /nfs/dbraw/zinc/49/69/30/1078496930.db2.gz LTNYHWNMJBAUBQ-UHFFFAOYSA-N -2 3 316.269 2.461 20 5 DEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021363267 182272812 /nfs/dbraw/zinc/27/28/12/182272812.db2.gz WMODLGOSSJBTEJ-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000823644186 607459480 /nfs/dbraw/zinc/45/94/80/607459480.db2.gz GNVPLGVHVMWCNV-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000823644186 607459481 /nfs/dbraw/zinc/45/94/81/607459481.db2.gz GNVPLGVHVMWCNV-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL Cc1ccc([C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001600378430 1077190596 /nfs/dbraw/zinc/19/05/96/1077190596.db2.gz LIDLLZFZXSXJMV-NSHDSACASA-N -2 3 317.301 2.284 20 5 DEBDHL Cc1ccc([C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001600378428 1077190878 /nfs/dbraw/zinc/19/08/78/1077190878.db2.gz LIDLLZFZXSXJMV-LLVKDONJSA-N -2 3 317.301 2.284 20 5 DEBDHL O=C([O-])[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC001608635121 1077667928 /nfs/dbraw/zinc/66/79/28/1077667928.db2.gz IMYYHWWYRQXDOJ-GUTXKFCHSA-N -2 3 320.345 2.376 20 5 DEBDHL O=C(Cc1ccc([O-])c(F)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001610896114 1078092465 /nfs/dbraw/zinc/09/24/65/1078092465.db2.gz RPIDROHDGDJTCC-UHFFFAOYSA-N -2 3 306.249 2.326 20 5 DEBDHL O=C([O-])[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001608542357 1077652237 /nfs/dbraw/zinc/65/22/37/1077652237.db2.gz BTZVFTFTLJUMEF-JTQLQIEISA-N -2 3 321.264 2.115 20 5 DEBDHL O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1[O-] ZINC000133393735 401884006 /nfs/dbraw/zinc/88/40/06/401884006.db2.gz UISFTDPMGPMATC-UHFFFAOYSA-N -2 3 322.342 2.285 20 5 DEBDHL O=c1cccc2oc3cc([O-])c(OC4CC(O)C4)cc3c([O-])c1-2 ZINC001218256429 802161235 /nfs/dbraw/zinc/16/12/35/802161235.db2.gz BHBCECHYMOTKNW-UHFFFAOYSA-N -2 3 314.293 2.260 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)ccc1[O-] ZINC001593472902 1077006974 /nfs/dbraw/zinc/00/69/74/1077006974.db2.gz CFPRAZHBPZXIPZ-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)ccc1[O-] ZINC001593472902 1077006977 /nfs/dbraw/zinc/00/69/77/1077006977.db2.gz CFPRAZHBPZXIPZ-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1[O-] ZINC000552069442 285940035 /nfs/dbraw/zinc/94/00/35/285940035.db2.gz SMIMRXACGZBRLC-UHFFFAOYSA-N -2 3 316.269 2.461 20 5 DEBDHL COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436633720 405113060 /nfs/dbraw/zinc/11/30/60/405113060.db2.gz IYEABKYFEXXBPM-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394226 801389294 /nfs/dbraw/zinc/38/92/94/801389294.db2.gz SJQIUWTZPGPZDJ-UHFFFAOYSA-N -2 3 309.263 2.226 20 5 DEBDHL O=C([O-])c1cnc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC001610863761 1078087816 /nfs/dbraw/zinc/08/78/16/1078087816.db2.gz RIPADDYOPCNYKH-UHFFFAOYSA-N -2 3 307.237 2.145 20 5 DEBDHL Cc1ccnc([N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000595978764 358590208 /nfs/dbraw/zinc/59/02/08/358590208.db2.gz OICIAHOIGITQFB-UHFFFAOYSA-N -2 3 305.294 2.058 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357155369 147052527 /nfs/dbraw/zinc/05/25/27/147052527.db2.gz XHTZOMROWAWQMS-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL O=C(NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130510010 401834107 /nfs/dbraw/zinc/83/41/07/401834107.db2.gz HJAHZPAAQXIFJD-UHFFFAOYSA-N -2 3 306.249 2.075 20 5 DEBDHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])s1 ZINC000339506452 403384497 /nfs/dbraw/zinc/38/44/97/403384497.db2.gz XWWWCAVXNZJMRJ-UHFFFAOYSA-N -2 3 316.302 2.089 20 5 DEBDHL COc1cc([O-])cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436703051 405125395 /nfs/dbraw/zinc/12/53/95/405125395.db2.gz CHVQPDDGLWMVAS-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL CCCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548198446 406492147 /nfs/dbraw/zinc/49/21/47/406492147.db2.gz RRFFBMXHKFERMB-UHFFFAOYSA-N -2 3 316.335 2.225 20 5 DEBDHL COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c([O-])c1 ZINC000443560292 534173748 /nfs/dbraw/zinc/17/37/48/534173748.db2.gz QFDPNMVUYGVOSY-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL CCOC(=O)[C@H]1CCC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970198 803437963 /nfs/dbraw/zinc/43/79/63/803437963.db2.gz HDJSKLXFIPZMJF-ONGXEEELSA-N -2 3 311.290 2.117 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1Cc2ccccc2O1 ZINC001228969779 803438113 /nfs/dbraw/zinc/43/81/13/803438113.db2.gz CMEAVBPVIFNDPR-LLVKDONJSA-N -2 3 303.270 2.389 20 5 DEBDHL O=C([O-])c1cc(NC(=O)c2cccc([O-])c2)cc([N+](=O)[O-])c1 ZINC001608855803 1077708364 /nfs/dbraw/zinc/70/83/64/1077708364.db2.gz FIPGQVUGGDMHNJ-UHFFFAOYSA-N -2 3 302.242 2.251 20 5 DEBDHL Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347424691 403705042 /nfs/dbraw/zinc/70/50/42/403705042.db2.gz WTPQZRFYBXORHN-DAXSKMNVSA-N -2 3 315.285 2.196 20 5 DEBDHL CCC(CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548240590 406493084 /nfs/dbraw/zinc/49/30/84/406493084.db2.gz HDJISYIWHHAJLX-UHFFFAOYSA-N -2 3 316.335 2.223 20 5 DEBDHL COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1[O-] ZINC000353603522 404880516 /nfs/dbraw/zinc/88/05/16/404880516.db2.gz KVIITQLFZQIYDM-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL COC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228973512 803438184 /nfs/dbraw/zinc/43/81/84/803438184.db2.gz KBFSFFIBJRHZPF-SCZZXKLOSA-N -2 3 311.290 2.117 20 5 DEBDHL CCc1nn(C)cc1[N-]c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001605866536 1070955127 /nfs/dbraw/zinc/95/51/27/1070955127.db2.gz MDPAOIKNRWPTRG-UHFFFAOYSA-N -2 3 305.294 2.036 20 5 DEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)n1 ZINC001610840938 1078084486 /nfs/dbraw/zinc/08/44/86/1078084486.db2.gz HFTYIBWWUJLYNQ-UHFFFAOYSA-N -2 3 307.237 2.145 20 5 DEBDHL O=C([O-])c1cc([N-]C(=O)c2cc(Cl)no2)cc([N+](=O)[O-])c1 ZINC001608855481 1077708299 /nfs/dbraw/zinc/70/82/99/1077708299.db2.gz REHQGCSMJGXMIX-UHFFFAOYSA-N -2 3 311.637 2.187 20 5 DEBDHL O=C([O-])c1cnc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000619864626 363884446 /nfs/dbraw/zinc/88/44/46/363884446.db2.gz NDSCPSGVEDTNLT-JHMJBTLWSA-N -2 3 313.269 2.103 20 5 DEBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([O-])c1 ZINC000021519442 182277652 /nfs/dbraw/zinc/27/76/52/182277652.db2.gz XXJNEYLWZWPVIX-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1[O-] ZINC000024100928 182374950 /nfs/dbraw/zinc/37/49/50/182374950.db2.gz IJGIWLFSEFPENL-UHFFFAOYSA-N -2 3 312.278 2.240 20 5 DEBDHL COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000443563180 534169290 /nfs/dbraw/zinc/16/92/90/534169290.db2.gz XIOODTREMVZEIE-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=[N+]([O-])c1cc([O-])cc(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001201221708 798727759 /nfs/dbraw/zinc/72/77/59/798727759.db2.gz FORUHKJQDLXOJR-UHFFFAOYSA-N -2 3 310.287 2.291 20 5 DEBDHL COC(=O)C1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972188 803437707 /nfs/dbraw/zinc/43/77/07/803437707.db2.gz UCZJBNYKBGWCKD-UHFFFAOYSA-N -2 3 311.290 2.117 20 5 DEBDHL CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971824 803438071 /nfs/dbraw/zinc/43/80/71/803438071.db2.gz RZTKKEJEOASNHC-LBPRGKRZSA-N -2 3 313.306 2.363 20 5 DEBDHL CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000519655783 283584308 /nfs/dbraw/zinc/58/43/08/283584308.db2.gz SQJWGHJEFTYEMY-MRVPVSSYSA-N -2 3 316.335 2.223 20 5 DEBDHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024100922 182374920 /nfs/dbraw/zinc/37/49/20/182374920.db2.gz TYHKTODDHQWLCH-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153574122 402153869 /nfs/dbraw/zinc/15/38/69/402153869.db2.gz PZSZTJHRNFYHCV-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCCCP(=O)([O-])[O-])C2 ZINC001225022637 802928325 /nfs/dbraw/zinc/92/83/25/802928325.db2.gz PQDHNXWYKCDUIB-CYBMUJFWSA-N -2 3 315.262 2.037 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1[O-] ZINC001607078593 1071287897 /nfs/dbraw/zinc/28/78/97/1071287897.db2.gz IFPZZRAWJREOSU-DAFODLJHSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1[O-] ZINC001607078593 1071287905 /nfs/dbraw/zinc/28/79/05/1071287905.db2.gz IFPZZRAWJREOSU-DAFODLJHSA-N -2 3 310.273 2.046 20 5 DEBDHL O=C([O-])[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CCCC1 ZINC001601655937 1077426457 /nfs/dbraw/zinc/42/64/57/1077426457.db2.gz XHNTWNKVXWUXGT-JTQLQIEISA-N -2 3 309.322 2.388 20 5 DEBDHL COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1[O-] ZINC000389133999 405037935 /nfs/dbraw/zinc/03/79/35/405037935.db2.gz FQXOQKBHLRXIEG-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=c1cccc2oc3cc([O-])c(O[C@H]4C[C@@H](O)C4)cc3c([O-])c1-2 ZINC001218414835 802178895 /nfs/dbraw/zinc/17/88/95/802178895.db2.gz BHBCECHYMOTKNW-DTORHVGOSA-N -2 3 314.293 2.260 20 5 DEBDHL C[C@@H](CON)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227310551 803229867 /nfs/dbraw/zinc/22/98/67/803229867.db2.gz VMPMAMGRHZVXRE-QMMMGPOBSA-N -2 3 317.297 2.015 20 5 DEBDHL CCOC(=O)CC1CC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971366 803437991 /nfs/dbraw/zinc/43/79/91/803437991.db2.gz OBZQESZZYZHYPJ-UHFFFAOYSA-N -2 3 311.290 2.117 20 5 DEBDHL O=c1nc(C=Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013454 404077706 /nfs/dbraw/zinc/07/77/06/404077706.db2.gz KANIGIHXBRGVMV-UPHRSURJSA-N -2 3 313.191 2.384 20 5 DEBDHL COC(=O)[C@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228974523 803438045 /nfs/dbraw/zinc/43/80/45/803438045.db2.gz UCZJBNYKBGWCKD-WAAGHKOSSA-N -2 3 311.290 2.117 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1COc2ccccc2O1 ZINC001228970887 803438223 /nfs/dbraw/zinc/43/82/23/803438223.db2.gz LBWJCTUKIARCFU-JTQLQIEISA-N -2 3 319.269 2.225 20 5 DEBDHL Cc1nnc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC001637275504 1078511203 /nfs/dbraw/zinc/51/12/03/1078511203.db2.gz JSELSBCBFBFSQU-UHFFFAOYSA-N -2 3 314.710 2.366 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccncc1-c1nnn[n-]1 ZINC001593481830 1077009676 /nfs/dbraw/zinc/00/96/76/1077009676.db2.gz LFKFLAMJIRLIQP-OWOJBTEDSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1ccc([O-])cc1C=Cc1ccncc1-c1nn[n-]n1 ZINC001593481830 1077009678 /nfs/dbraw/zinc/00/96/78/1077009678.db2.gz LFKFLAMJIRLIQP-OWOJBTEDSA-N -2 3 310.273 2.046 20 5 DEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3CC(O)C3)c12 ZINC001218261113 802161756 /nfs/dbraw/zinc/16/17/56/802161756.db2.gz CUZONWOUYCWUKX-UHFFFAOYSA-N -2 3 314.293 2.260 20 5 DEBDHL CC(C)CCOC(=O)[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973509 803437848 /nfs/dbraw/zinc/43/78/48/803437848.db2.gz JXKJEJNTANBPAM-SECBINFHSA-N -2 3 313.306 2.363 20 5 DEBDHL O=C([O-])CCc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001595066463 951551767 /nfs/dbraw/zinc/55/17/67/951551767.db2.gz LJZNMYUQRHGUNX-UHFFFAOYSA-N -2 3 303.274 2.456 20 5 DEBDHL Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347424695 403704772 /nfs/dbraw/zinc/70/47/72/403704772.db2.gz WTPQZRFYBXORHN-QPJJXVBHSA-N -2 3 315.285 2.196 20 5 DEBDHL O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109091879 402267773 /nfs/dbraw/zinc/26/77/73/402267773.db2.gz IXJNNTZWWBTPAA-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL CSc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[n-]1 ZINC000340268393 274189709 /nfs/dbraw/zinc/18/97/09/274189709.db2.gz WLQNTPABMNRROB-UHFFFAOYSA-N -2 3 319.302 2.433 20 5 DEBDHL Cc1cn2c(n1)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])CCC2 ZINC001228975250 803438263 /nfs/dbraw/zinc/43/82/63/803438263.db2.gz YWSGEGUCPGYQHI-NSHDSACASA-N -2 3 305.290 2.425 20 5 DEBDHL CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C(=O)[O-] ZINC001605854562 1070945772 /nfs/dbraw/zinc/94/57/72/1070945772.db2.gz CEXOQFJRCJXVPT-UHFFFAOYSA-N -2 3 311.275 2.157 20 5 DEBDHL CC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1[O-] ZINC001298744458 1140078656 /nfs/dbraw/zinc/07/86/56/1140078656.db2.gz KAUMPCLHZRSSNE-UHFFFAOYSA-N -2 3 316.269 2.461 20 5 DEBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnns1 ZINC000182632220 402704737 /nfs/dbraw/zinc/70/47/37/402704737.db2.gz DIEGWZJHDRDKJD-UHFFFAOYSA-N -2 3 300.683 2.058 20 5 DEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cs1 ZINC000768886151 641139774 /nfs/dbraw/zinc/13/97/74/641139774.db2.gz AGRMUHQYLVCVRM-UHFFFAOYSA-N -2 3 318.307 2.302 20 5 DEBDHL CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971818 803437907 /nfs/dbraw/zinc/43/79/07/803437907.db2.gz RZTKKEJEOASNHC-GFCCVEGCSA-N -2 3 313.306 2.363 20 5 DEBDHL O=C([O-])c1ccccc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001602466204 1069648188 /nfs/dbraw/zinc/64/81/88/1069648188.db2.gz FDEQUJZIVGFIKI-UHFFFAOYSA-N -2 3 303.274 2.048 20 5 DEBDHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001470670489 1060126657 /nfs/dbraw/zinc/12/66/57/1060126657.db2.gz UXMDAUYYBOKTPE-UHFFFAOYSA-N -2 3 313.273 2.067 20 5 DEBDHL O=C([O-])[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001608542359 1077652311 /nfs/dbraw/zinc/65/23/11/1077652311.db2.gz BTZVFTFTLJUMEF-SNVBAGLBSA-N -2 3 321.264 2.115 20 5 DEBDHL O=C([O-])/C=C\c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001601882231 1077469934 /nfs/dbraw/zinc/46/99/34/1077469934.db2.gz IEGKYEBJIBNAKP-XQRVVYSFSA-N -2 3 315.285 2.405 20 5 DEBDHL O=C([O-])[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC001608635125 1077668201 /nfs/dbraw/zinc/66/82/01/1077668201.db2.gz IMYYHWWYRQXDOJ-NFAWXSAZSA-N -2 3 320.345 2.376 20 5 DEBDHL COc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436903930 405158847 /nfs/dbraw/zinc/15/88/47/405158847.db2.gz XRMRLELXIXSOJQ-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=C(Nc1ncccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001567485869 1064221450 /nfs/dbraw/zinc/22/14/50/1064221450.db2.gz VAUMTJQLSZKVQC-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL C[C@@H](CON)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234743096 1084203364 /nfs/dbraw/zinc/20/33/64/1084203364.db2.gz YLUHWAKUMOJRLD-QMMMGPOBSA-N -2 3 317.297 2.015 20 5 DEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000346420494 146079024 /nfs/dbraw/zinc/07/90/24/146079024.db2.gz RRHNQDDLBYQLCV-UHFFFAOYSA-N -2 3 324.314 2.115 20 5 DEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1 ZINC000346420494 146079025 /nfs/dbraw/zinc/07/90/25/146079025.db2.gz RRHNQDDLBYQLCV-UHFFFAOYSA-N -3 3 324.314 2.115 20 5 DEBDHL O=C(Nc1cccc(Cl)c1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189375396 145026121 /nfs/dbraw/zinc/02/61/21/145026121.db2.gz CPYDQFOEISUZTK-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001141537764 796675437 /nfs/dbraw/zinc/67/54/37/796675437.db2.gz AIXSPACXZKXOPL-UHFFFAOYSA-N -2 3 313.273 2.271 20 5 DEBDHL COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc([N+](=O)[O-])c1[O-] ZINC000436785508 405139463 /nfs/dbraw/zinc/13/94/63/405139463.db2.gz URHIKKBGFKUKOO-ARJAWSKDSA-N -2 3 303.274 2.283 20 5 DEBDHL COc1cc([O-])cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436977763 405172258 /nfs/dbraw/zinc/17/22/58/405172258.db2.gz FNPCIDVJNLUZEA-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=C([O-])c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C1CC1 ZINC001601636540 1077422334 /nfs/dbraw/zinc/42/23/34/1077422334.db2.gz QOHTZWHFYUURFJ-UHFFFAOYSA-N -2 3 323.286 2.472 20 5 DEBDHL COc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000345261090 404645019 /nfs/dbraw/zinc/64/50/19/404645019.db2.gz LXYZLLQAGDTNEP-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL COC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228973513 803438189 /nfs/dbraw/zinc/43/81/89/803438189.db2.gz KBFSFFIBJRHZPF-WCBMZHEXSA-N -2 3 311.290 2.117 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)ccc1[O-] ZINC001593473359 1077006953 /nfs/dbraw/zinc/00/69/53/1077006953.db2.gz YWVUIFODVVUFPZ-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=[N+]([O-])c1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)ccc1[O-] ZINC001593473359 1077006959 /nfs/dbraw/zinc/00/69/59/1077006959.db2.gz YWVUIFODVVUFPZ-IWQZZHSRSA-N -2 3 310.273 2.046 20 5 DEBDHL O=C([O-])c1cc([N-]C(=O)c2c(F)ccnc2F)cc([N+](=O)[O-])c1 ZINC001602283677 1077541104 /nfs/dbraw/zinc/54/11/04/1077541104.db2.gz QUIAQJBTZVWWDS-UHFFFAOYSA-N -2 3 323.211 2.219 20 5 DEBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000194653598 356243303 /nfs/dbraw/zinc/24/33/03/356243303.db2.gz NMSKVFZOJQHUKD-UHFFFAOYSA-N -2 3 312.278 2.240 20 5 DEBDHL O=C(/C=C/c1cncc([O-])c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182162040 402668944 /nfs/dbraw/zinc/66/89/44/402668944.db2.gz WOYQGSJUDODELV-DAFODLJHSA-N -2 3 301.258 2.053 20 5 DEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000342610928 404677153 /nfs/dbraw/zinc/67/71/53/404677153.db2.gz CKHWYEQEUHAYBC-UHFFFAOYSA-N -2 3 324.314 2.110 20 5 DEBDHL CN1CC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227305874 803229882 /nfs/dbraw/zinc/22/98/82/803229882.db2.gz BJIBZYKNWSKTSL-UHFFFAOYSA-N -2 3 313.309 2.050 20 5 DEBDHL COc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599573925 998409284 /nfs/dbraw/zinc/40/92/84/998409284.db2.gz QXRHXBNPFBMDOT-UHFFFAOYSA-N -2 3 319.273 2.014 20 5 DEBDHL O=C([O-])[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC001608814062 1077699901 /nfs/dbraw/zinc/69/99/01/1077699901.db2.gz PXYDDWAIXXKUCJ-PWSUYJOCSA-N -2 3 315.285 2.421 20 5 DEBDHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000054572903 402069893 /nfs/dbraw/zinc/06/98/93/402069893.db2.gz JSSDQKYTVPVAFH-UHFFFAOYSA-N -2 3 319.174 2.123 20 5 DEBDHL O=c1nc(C=Cc2scnc2C2CC2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352020750 404086562 /nfs/dbraw/zinc/08/65/62/404086562.db2.gz JTPPTVCARZEAMJ-ARJAWSKDSA-N -2 3 306.303 2.300 20 5 DEBDHL COC(=O)c1cnc(SCc2cc([O-])ccc2[N+](=O)[O-])[n-]1 ZINC001652785490 1079897732 /nfs/dbraw/zinc/89/77/32/1079897732.db2.gz LXDLSWJGFAOXIR-UHFFFAOYSA-N -2 3 309.303 2.102 20 5 DEBDHL COC(=O)c1c[n-]c(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001652785490 1079897740 /nfs/dbraw/zinc/89/77/40/1079897740.db2.gz LXDLSWJGFAOXIR-UHFFFAOYSA-N -2 3 309.303 2.102 20 5 DEBDHL O=c1nc(C=Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])c([O-])[n-]1 ZINC000590777256 357610893 /nfs/dbraw/zinc/61/08/93/357610893.db2.gz CNWPPKAPRXNNFA-AATRIKPKSA-N -2 3 320.330 2.302 20 5 DEBDHL Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000595979898 358590158 /nfs/dbraw/zinc/59/01/58/358590158.db2.gz VJYMBRBJFYLVBN-UHFFFAOYSA-N -2 3 319.321 2.366 20 5 DEBDHL CCC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000519655799 283584262 /nfs/dbraw/zinc/58/42/62/283584262.db2.gz SQJWGHJEFTYEMY-QMMMGPOBSA-N -2 3 316.335 2.223 20 5 DEBDHL COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1[O-] ZINC000350577152 356543328 /nfs/dbraw/zinc/54/33/28/356543328.db2.gz UIOBPCSGZGKAEE-UHFFFAOYSA-N -2 3 302.246 2.354 20 5 DEBDHL COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c([O-])c1 ZINC000442705623 534172598 /nfs/dbraw/zinc/17/25/98/534172598.db2.gz PZAQURRERJILPT-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228974550 803437814 /nfs/dbraw/zinc/43/78/14/803437814.db2.gz UDFLXIOLJUCRBJ-WPRPVWTQSA-N -2 3 311.290 2.117 20 5 DEBDHL CCOC(=O)[C@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228974546 803438231 /nfs/dbraw/zinc/43/82/31/803438231.db2.gz UDFLXIOLJUCRBJ-WCBMZHEXSA-N -2 3 311.290 2.117 20 5 DEBDHL COc1cc(CNc2ccc(C(=O)[O-])nc2)c([N+](=O)[O-])cc1[O-] ZINC001599418114 997545344 /nfs/dbraw/zinc/54/53/44/997545344.db2.gz DIKLFMDCGQHHPJ-UHFFFAOYSA-N -2 3 319.273 2.014 20 5 DEBDHL O=C([O-])[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001608635127 1077668022 /nfs/dbraw/zinc/66/80/22/1077668022.db2.gz IMYYHWWYRQXDOJ-UMVBOHGHSA-N -2 3 320.345 2.376 20 5 DEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(C(F)(F)F)n[n-]1 ZINC000140351387 355884416 /nfs/dbraw/zinc/88/44/16/355884416.db2.gz HXENQZUYYLJWRG-UHFFFAOYSA-N -2 3 316.195 2.295 20 5 DEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(C(F)(F)F)[n-]n1 ZINC000140351387 355884421 /nfs/dbraw/zinc/88/44/21/355884421.db2.gz HXENQZUYYLJWRG-UHFFFAOYSA-N -2 3 316.195 2.295 20 5 DEBDHL O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815281 798543999 /nfs/dbraw/zinc/54/39/99/798543999.db2.gz YIMFOJHNICABGB-UHFFFAOYSA-N -2 3 309.263 2.226 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001228974130 803437685 /nfs/dbraw/zinc/43/76/85/803437685.db2.gz QBGYKDFTRJCDFQ-SNVBAGLBSA-N -2 3 311.290 2.071 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1COc2ccccc2O1 ZINC001228970913 803437764 /nfs/dbraw/zinc/43/77/64/803437764.db2.gz LBWJCTUKIARCFU-SNVBAGLBSA-N -2 3 319.269 2.225 20 5 DEBDHL COc1cc(CNc2cncc(C(=O)[O-])c2)c([N+](=O)[O-])cc1[O-] ZINC001594058736 958067708 /nfs/dbraw/zinc/06/77/08/958067708.db2.gz LKVHSUCLTQBXMG-UHFFFAOYSA-N -2 3 319.273 2.014 20 5 DEBDHL C[C@H](CON)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234743095 1084203691 /nfs/dbraw/zinc/20/36/91/1084203691.db2.gz YLUHWAKUMOJRLD-MRVPVSSYSA-N -2 3 317.297 2.015 20 5 DEBDHL O=C([O-])c1cnc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000619864628 363884370 /nfs/dbraw/zinc/88/43/70/363884370.db2.gz NDSCPSGVEDTNLT-VKDZAETISA-N -2 3 313.269 2.103 20 5 DEBDHL COc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc([N+](=O)[O-])c1[O-] ZINC000436785509 405139584 /nfs/dbraw/zinc/13/95/84/405139584.db2.gz URHIKKBGFKUKOO-ONEGZZNKSA-N -2 3 303.274 2.283 20 5 DEBDHL CCCC[C@@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000416434439 424958504 /nfs/dbraw/zinc/95/85/04/424958504.db2.gz UQQPJAWWZGPVKQ-LLVKDONJSA-N -2 3 320.305 2.700 20 5 DEBDHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001174502933 794003144 /nfs/dbraw/zinc/00/31/44/794003144.db2.gz OEAHLEVUKATFLW-UHFFFAOYSA-N -2 3 316.273 2.410 20 5 DEBDHL Cc1sc(C(=O)[O-])cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001608063551 1077587668 /nfs/dbraw/zinc/58/76/68/1077587668.db2.gz ZDRLFNAAXUZLHI-UHFFFAOYSA-N -2 3 323.286 2.016 20 5 DEBDHL CN1CC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1 ZINC001234746169 1084204570 /nfs/dbraw/zinc/20/45/70/1084204570.db2.gz BKWSNHVKHGUWFJ-UHFFFAOYSA-N -2 3 313.309 2.050 20 5 DEBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1ncoc1[C@H]1CCCO1 ZINC000092546101 355638929 /nfs/dbraw/zinc/63/89/29/355638929.db2.gz SQHLCHGVQRLMMX-LLVKDONJSA-N -2 3 319.273 2.392 20 5 DEBDHL O=C(Nc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000172356905 402652361 /nfs/dbraw/zinc/65/23/61/402652361.db2.gz SBCWALLCCPUREM-UHFFFAOYSA-N -2 3 309.665 2.307 20 5 DEBDHL CS(=O)(=O)c1ccc([O-])c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224292 798727859 /nfs/dbraw/zinc/72/78/59/798727859.db2.gz LBMHPFMDMTVZDS-UHFFFAOYSA-N -2 3 324.314 2.153 20 5 DEBDHL O=c1cccc2oc3cc([O-])c(OC4COC4)cc3c([O-])c1-2 ZINC001227306630 803229233 /nfs/dbraw/zinc/22/92/33/803229233.db2.gz LAWHEDXFTAAERT-UHFFFAOYSA-N -2 3 300.266 2.135 20 5 DEBDHL O=c1nc(C=Cc2cc(F)c(F)cc2F)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027602 404092655 /nfs/dbraw/zinc/09/26/55/404092655.db2.gz PYCDSRIGKQRXNL-OWOJBTEDSA-N -2 3 313.191 2.384 20 5 DEBDHL O=c1nc(C=Cc2ccnn2C2CCCC2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000453029967 405276659 /nfs/dbraw/zinc/27/66/59/405276659.db2.gz SOPUHLRXOZKQKY-WAYWQWQTSA-N -2 3 317.305 2.278 20 5 DEBDHL CC(C)CCOC(=O)[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973510 803438236 /nfs/dbraw/zinc/43/82/36/803438236.db2.gz JXKJEJNTANBPAM-VIFPVBQESA-N -2 3 313.306 2.363 20 5 DEBDHL CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001603257510 1069924183 /nfs/dbraw/zinc/92/41/83/1069924183.db2.gz KAYLWTLBLOUJAR-SECBINFHSA-N -2 3 309.322 2.023 20 5 DEBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([O-])c1 ZINC000619466320 363805321 /nfs/dbraw/zinc/80/53/21/363805321.db2.gz MVDZWFOGBCZWJF-UHFFFAOYSA-N -2 3 324.314 2.110 20 5 DEBDHL O=C1[N-]C(=O)/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000129535374 684179867 /nfs/dbraw/zinc/17/98/67/684179867.db2.gz HLQSRXDKECXZIP-GHXNOFRVSA-N -2 3 310.265 2.111 20 5 DEBDHL Cc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000619864575 363884711 /nfs/dbraw/zinc/88/47/11/363884711.db2.gz HZTVEDMBFKQFED-SNAWJCMRSA-N -2 3 301.258 2.267 20 5 DEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1[O-] ZINC000024100985 182375252 /nfs/dbraw/zinc/37/52/52/182375252.db2.gz YUUPIINIKGDELJ-UHFFFAOYSA-N -2 3 312.278 2.240 20 5 DEBDHL Cc1nc(C=Cc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347414258 403701213 /nfs/dbraw/zinc/70/12/13/403701213.db2.gz FXOWZTRNSMSHCU-AATRIKPKSA-N -2 3 315.285 2.196 20 5 DEBDHL CC(=O)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1[O-] ZINC000571989574 406591191 /nfs/dbraw/zinc/59/11/91/406591191.db2.gz YZQVYCXXPYJMHY-UHFFFAOYSA-N -2 3 316.269 2.461 20 5 DEBDHL Cc1cc(=O)[n-]c(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000595529427 358475191 /nfs/dbraw/zinc/47/51/91/358475191.db2.gz WURDVZVUPUPCDW-UHFFFAOYSA-N -2 3 318.333 2.129 20 5 DEBDHL Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000024100920 182374948 /nfs/dbraw/zinc/37/49/48/182374948.db2.gz IFHHHEYZGAAVQT-UHFFFAOYSA-N -2 3 308.315 2.410 20 5 DEBDHL O=c1nc(C=Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013453 404077288 /nfs/dbraw/zinc/07/72/88/404077288.db2.gz KANIGIHXBRGVMV-OWOJBTEDSA-N -2 3 313.191 2.384 20 5 DEBDHL O=c1nc(C=Cc2cc(F)c(F)cc2F)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027603 404092964 /nfs/dbraw/zinc/09/29/64/404092964.db2.gz PYCDSRIGKQRXNL-UPHRSURJSA-N -2 3 313.191 2.384 20 5 DEBDHL O=C([O-])c1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC001176675142 794471433 /nfs/dbraw/zinc/47/14/33/794471433.db2.gz TVHWZDCHLBBHJE-UHFFFAOYSA-N -2 3 316.273 2.410 20 5 DEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3C[C@@H](O)C3)c12 ZINC001218423050 802180595 /nfs/dbraw/zinc/18/05/95/802180595.db2.gz CUZONWOUYCWUKX-WAAGHKOSSA-N -2 3 314.293 2.260 20 5 DEBDHL O=C1CC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1 ZINC001234742919 1084204094 /nfs/dbraw/zinc/20/40/94/1084204094.db2.gz VQWHTHPISUVJAH-UHFFFAOYSA-N -2 3 312.277 2.468 20 5 DEBDHL COc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000336862259 403934536 /nfs/dbraw/zinc/93/45/36/403934536.db2.gz IEBBTKOPLYQSOZ-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL O=C([O-])/C=C/c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001601882228 1077470016 /nfs/dbraw/zinc/47/00/16/1077470016.db2.gz IEGKYEBJIBNAKP-GQCTYLIASA-N -2 3 315.285 2.405 20 5 DEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1Cc2ccccc2O1 ZINC001228969783 803437556 /nfs/dbraw/zinc/43/75/56/803437556.db2.gz CMEAVBPVIFNDPR-NSHDSACASA-N -2 3 303.270 2.389 20 5 DEBDHL COc1cc([O-])cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000358161524 536861191 /nfs/dbraw/zinc/86/11/91/536861191.db2.gz CZSXJVMQCTZOPE-UHFFFAOYSA-N -2 3 304.258 2.267 20 5 DEBDHL